Information card for entry 7036302

Structure parameters

• Chemical name: (2,2'-biphenyl)(4,4'-diethylester-2,2'-dipyridyl)platinum(II)
• Formula: C28 H24 N2 O4 Pt
• Calculated formula: C28 H24 N2 O4 Pt
• SMILES: c12ccccc1c1ccccc1[Pt]12[n]2ccc(cc2c2cc(cc[n]12)C(=O)OCC)C(=O)OCC
• Title of publication: HOMO-LUMO energy gap control in platinum(ii) biphenyl complexes containing 2,2'-bipyridine ligands.
• Authors of publication: Rillema, D. Paul; Stoyanov, Stanislav R.; Cruz, Arvin J.; Nguyen, Huy; Moore, Curtis; Huang, Wei; Siam, Khamis; Jehan, Ali; KomReddy, Venugopal
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 39
• Pages of publication: 17075 - 17090
• a: 22.3019 ± 0.0011 Å
• b: 7.1519 ± 0.0004 Å
• c: 31.0906 ± 0.0015 Å
• α: 90°
• β: 105.466 ± 0.003°
• γ: 90°
• Cell volume: 4779.4 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0288
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0585
• Weighted residual factors for all reflections included in the refinement: 0.0599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No